CID 426159

Ethyl 2-{[(4-methylphenyl)methyl]amino}acetate hydrochloride

Structural Information

Molecular Formula
C12H17NO2
SMILES
CCOC(=O)CNCC1=CC=C(C=C1)C
InChI
InChI=1S/C12H17NO2/c1-3-15-12(14)9-13-8-11-6-4-10(2)5-7-11/h4-7,13H,3,8-9H2,1-2H3
InChIKey
QZLMPLDNZZQWOX-UHFFFAOYSA-N
Compound name
ethyl 2-[(4-methylphenyl)methylamino]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

207.12593 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.133206 147.3
[M+Na]+ 230.115148 153.5
[M-H]- 206.118654 150.7
[M+NH4]+ 225.159753 166.1
[M+K]+ 246.089088 151.8
[M+H-H2O]+ 190.123190 140.8
[M+HCOO]- 252.124131 171.6
[M+CH3COO]- 266.139781 189.7
[M+Na-2H]- 228.100596 152.2
[M]+ 207.12538142 149.4
[M]- 207.12647858 149.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe